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Von:Tobias Kind (
Betrifft:Finding unknown substances
View: (This is the only article in this thread) | Original Format
Datum:2001-01-03 16:00:05 PST
Dear Colleagues,

finding unknown "known" substances (identified by GC-MS) is sometimes
horrible. In most cases customers of
GC-MS services want a little background knowledge about the identified

Costs for 24h-online databases (CA,WOS,STN) can exceed the cost of a
GC-MS device by a factor of 10.
Again, all the following  links may be  well known, therefore --> to
whom it may concern.

I suppose you identified a substance manually or you have a proposal by
NISTor Wiley databases.
As an arbitrary example I take  CAS: [205-43-6] -
You have to find retention data (boiling point), toxicity, and source
and standards. (and you have no money)

(1) ***** 49  hits (by toxline//SIS//NLM)

The people at toxline should win a prize for cleverness - they have
dozens of CAS numbers. Especially many
old chromatography abstracts (its an eldorado).  Don't forget to check
And in the near future other clever people will link the whole databases
to NIST an Wiley... :-)

(2) ***** 0 usefull links (by chemfinder)

Don't wonder - in this case Chemfinder found nothing - but this is the
NUMBER ONE if you want to find
anything about a substance. Ever wondered what "grass hopper ketone" is?
Try it! Or find out all the
features of chemfinder - using a substance like lindane. (people at
chemfinder also should win a prize)
They link to NIST Chemistry WebBook and ECR Physprop (and many many
other databases).

(3) ***** 3 hits (CAS), 19 hits name (by google)

Forget all other search engines, google is double sized (1,4E9 pages)
and truly at time the  biggest internet-engine.
Use the cache function - even if the other side is offline, you can read
the page, because google has a carbon copy!
Remember, stemming (using wildcards *) is not allowed, and no phonetic

(4) *** 10-14 hits (by Beilstein)

This is the free Beilstein abstract service by chemweb (you can join for

... and if you are a lucky subscriber (sorry)
(5) *** 4 hits (by sciencedirect)    together with the (german based) document
delivery service SUBITO

I know that there are a lot more of services, databases, meta engines,
full-text libraries, but I think that these
are the most useful free services one can use without professional help.

With kind regards
Tobias Kind

PS: If someone finds more (useful) hits with 4 other free services
he/she will also win a price  :-)


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© 2002 Tobias Kind - - Alle Rechte vorbehalten.